2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine

C13H17ClN2O — CID 54100857

IUPAC2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESC=Cc1cc(OC[C@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H17ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h3,7-8,11H,1,4-6,9H2,2H3/t11-/m1/s1
InChIKeyNAKBKYHYWIJFJM-LLVKDONJSA-N
MW252.74 g/mol
LogP2.85
Rot. Bonds4

About 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine

2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine (PubChem CID 54100857) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
PubChem CID54100857
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine
SMILESC=Cc1cc(OC[C@H]2CCCN2C)cnc1Cl
InChIInChI=1S/C13H17ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h3,7-8,11H,1,4-6,9H2,2H3/t11-/m1/s1
InChIKeyNAKBKYHYWIJFJM-LLVKDONJSA-N
XLogP2.85
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The IUPAC name of 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine (CID 54100857) is 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine.
What is the SMILES notation for 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The canonical SMILES for 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine is C=Cc1cc(OC[C@H]2CCCN2C)cnc1Cl.
What is the InChIKey of 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
The InChIKey is NAKBKYHYWIJFJM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-10-7-12(8-15-13(10)14)17-9-11-5-4-6-16(11)2/h3,7-8,11H,1,4-6,9H2,2H3/t11-/m1/s1.
What are the key properties of 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine?
2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine has a molecular weight of 252.74 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethenyl-5-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]pyridine is sourced from PubChem (CID 54100857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).